2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole

C15H9BrClNO — CID 175068504

IUPAC2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole
SMILESClc1ccc(-c2ncco2)c(-c2ccc(Br)cc2)c1
InChIInChI=1S/C15H9BrClNO/c16-11-3-1-10(2-4-11)14-9-12(17)5-6-13(14)15-18-7-8-19-15/h1-9H
InChIKeyKVCVYQLQMWAVGC-UHFFFAOYSA-N
MW334.60 g/mol
LogP5.42
Rot. Bonds2

About 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole

2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole (PubChem CID 175068504) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole
PubChem CID175068504
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole
SMILESClc1ccc(-c2ncco2)c(-c2ccc(Br)cc2)c1
InChIInChI=1S/C15H9BrClNO/c16-11-3-1-10(2-4-11)14-9-12(17)5-6-13(14)15-18-7-8-19-15/h1-9H
InChIKeyKVCVYQLQMWAVGC-UHFFFAOYSA-N
XLogP5.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.60
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(1,3-oxazol-2-yl)aniline
CID 59485553
2-(5-bromo-2-chlorophenyl)-1,3-oxazole
CID 130839908
5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide
CID 67622969
4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809
2-chloro-4-(1,3-oxazol-2-yl)phenol
CID 137195866
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
2-(2,5-difluorophenyl)-1,3-oxazole
CID 10678958
5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
2-[4-(1-bromoethyl)-3-fluorophenyl]-1,3-oxazole
CID 174633441
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
2-[3,6,8-tris(1,3-oxazol-2-yl)pyren-1-yl]-1,3-oxazole
CID 90336805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole?
The IUPAC name of 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole (CID 175068504) is 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole is Clc1ccc(-c2ncco2)c(-c2ccc(Br)cc2)c1.
What is the InChIKey of 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole?
The InChIKey is KVCVYQLQMWAVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-11-3-1-10(2-4-11)14-9-12(17)5-6-13(14)15-18-7-8-19-15/h1-9H.
What are the key properties of 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole?
2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole has a molecular weight of 334.60 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-4-chlorophenyl]-1,3-oxazole is sourced from PubChem (CID 175068504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).